Pdb2pqr

Implementation for protein preparation using PDB2PQR pre-docking.

PDB2PQR(pdb_file, outfile, config_obj)

Class to handle protein preparation using PDB2PQR.

Initialize PDB2PQR with a given configuration file.

PARAMETER	DESCRIPTION
pdb_file	Path to the input PDB file.
outfile	Path to the output file for the prepared protein.
config_obj	Configuration object for PDB2PQR.

config = config_obj

outfile = outfile

pdb_file = pdb_file

run()

Run the PDB2PQR preparation process.